1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C19H24N2O2S — CID 67649784

IUPAC1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCCN1CCC(Cc2cccs2)(C(N)=O)CC1Oc1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-2-21-11-10-19(18(20)22,13-16-9-6-12-24-16)14-17(21)23-15-7-4-3-5-8-15/h3-9,12,17H,2,10-11,13-14H2,1H3,(H2,20,22)
InChIKeyNSJYWHQTMPUELS-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.28
Rot. Bonds6

About 1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 67649784) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID67649784
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCCN1CCC(Cc2cccs2)(C(N)=O)CC1Oc1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-2-21-11-10-19(18(20)22,13-16-9-6-12-24-16)14-17(21)23-15-7-4-3-5-8-15/h3-9,12,17H,2,10-11,13-14H2,1H3,(H2,20,22)
InChIKeyNSJYWHQTMPUELS-UHFFFAOYSA-N
XLogP3.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 67649784) is 1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide is CCN1CCC(Cc2cccs2)(C(N)=O)CC1Oc1ccccc1.
What is the InChIKey of 1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is NSJYWHQTMPUELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-2-21-11-10-19(18(20)22,13-16-9-6-12-24-16)14-17(21)23-15-7-4-3-5-8-15/h3-9,12,17H,2,10-11,13-14H2,1H3,(H2,20,22).
What are the key properties of 1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-phenoxy-4-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 67649784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).